Identification and optimization of TDP1 inhibitors from anthraquinone and chalcone derivatives: consensus scoring virtual screening and molecular simulations

Virtual screening aims to identify and rank compounds with drug/lead-like properties based on their affinity for the protein target. We developed a methodology that integrates structure- and ligand-based screening approaches to enhance hit rates against the TDP1 protein within a database of anthraqu...

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Bibliographic Details

Main Authors:	Moshawih, Said, Goh, Hui Poh, Kifli, Nurolaini, Darwesh, Mohammed Abd ElFattah, Ardianto, Chrismawan, Goh, Khang Wen, Long, Chiau Ming *
Format:	Article
Published:	Taylor and Francis Group 2023
Subjects:	QH Natural history QP Physiology RS Pharmacy and materia medica
Online Access:	http://eprints.sunway.edu.my/2860/ https://doi.org/10.1080/07391102.2023.2256870
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